ChemSpider 2D Image | β-Cyclocitral-d5 | C10H11D5O

β-Cyclocitral-d5

  • Molecular FormulaC10H11D5O
  • Average mass157.264 Da
  • Monoisotopic mass157.151505 Da
  • ChemSpider ID23935742

  • Non-standard isotope - Non-standard isotope

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1-Cyclohexene-3,3-d2-1-carboxaldehyde, 6,6-dimethyl-2-(methyl-d3)- [ACD/Index Name]
6,6-Dimethyl-2-(2H3)methyl(3,3-2H2)-1-cyclohexen-1-carbaldehyd [German] [ACD/IUPAC Name]
6,6-Dimethyl-2-(2H3)methyl(3,3-2H2)-1-cyclohexene-1-carbaldehyde [ACD/IUPAC Name]
6,6-Diméthyl-2-(2H3)méthyl(3,3-2H2)-1-cyclohexène-1-carbaldéhyde [French] [ACD/IUPAC Name]
78995-98-9 [RN]
β-Cyclocitral-d5
??-Cyclocitral-d5
?-Cyclocitral-d5
3,3-dideuterio-6,6-dimethyl-2-(trideuteriomethyl)cyclohexene-1-carbaldehyde
β-Cyclocitral-d5
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 0.9±0.1 g/cm3
Boiling Point: 212.1±19.0 °C at 760 mmHg
Vapour Pressure: 0.2±0.4 mmHg at 25°C
Enthalpy of Vaporization: 44.8±3.0 kJ/mol
Flash Point: 76.9±16.5 °C
Index of Refraction: 1.508
Molar Refractivity: 47.9±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.26
ACD/LogD (pH 5.5): 2.98
ACD/BCF (pH 5.5): 109.38
ACD/KOC (pH 5.5): 1002.51
ACD/LogD (pH 7.4): 2.98
ACD/BCF (pH 7.4): 109.38
ACD/KOC (pH 7.4): 1002.51
Polar Surface Area: 17 Å2
Polarizability: 19.0±0.5 10-24cm3
Surface Tension: 33.4±3.0 dyne/cm
Molar Volume: 160.7±3.0 cm3

Click to predict properties on the Chemicalize site


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